Geometry & MOs

Info

ID:	46902
PubChem CID:	10528269
Reduced:	N4O7C23H24 (1)
Stoich.:	A4B7C23D24 (1)
Weight, g/mol:	467.0377
ΔH_f, kcal/mol:	-224.11
Dipole, Da:	3.2
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-3-(4-bromophenyl)-5-methyl-4-[(E)-2-phenylethenyl]-5-phenylsulfanyl-1,3-thiazolidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations